519165-02-7
1-METHYL-3-NITRO-1H-PYRAZOLE-5-CARBONYL CHLORIDE
Name1-METHYL-3-NITRO-1H-PYRAZOLE-5-CARBONYL CHLORIDE
1Identification
【Name】
1-METHYL-3-NITRO-1H-PYRAZOLE-5-CARBONYL CHLORIDE
【CAS】
【MDL】
MFCD13174149
【English Synonyms】
【Formula】
C5 H4 Cl N3 O3
【MolWeight】
189.558
【Inchi】
InChI=1S/C5H4ClN3O3/c1-8-3(5(6)10)2-4(7-8)9(11)12/h2H,1H3
【InChIKey】
InChIKey=DYRSDVXAJFVINA-UHFFFAOYSA-N
【SMILES】
Cn1c(cc(n1)[N+](=O)[O-])C(=O)Cl
【MOL File】
1-METHYL-3-NITRO-1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-3-NITRO-1H-PYRAZOLE-5-CARBONYL CHLORIDE.cml